BioLiP

PDB

BioLiP

PDB CCD ID:

X1X

Number of entries in BioLiP:

Chemical formula:

C6 H10 O7

InChI:

InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3-,4-,6-/m0/s1

InChIKey:

AEMOLEFTQBMNLQ-JWKHNPINSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	[C@@H]1([C@H]([C@H](O[C@@H]([C@H]1O)O)C(=O)O)O)O
OpenEye OEToolkits 1.7.6	C1(C(C(OC(C1O)O)C(=O)O)O)O
CACTVS 3.385	O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O
ACDLabs 12.01	O=C(O)C1OC(O)C(O)C(O)C1O
CACTVS 3.385	O[C@H]1O[C@@H]([C@H](O)[C@H](O)[C@@H]1O)C(O)=O

Name:

alpha-D-talopyranuronic acid;
alpha-D-taluronic acid;
D-taluronic acid;
taluronic acid;
alpha-D-taluronate

ZINC:

ZINC000034455266

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).